2-acetyl-N-(4-propylphenyl)pent-4-enamide

C16H21NO2 — CID 87853698

IUPAC2-acetyl-N-(4-propylphenyl)pent-4-enamide
SMILESC=CCC(C(C)=O)C(=O)Nc1ccc(CCC)cc1
InChIInChI=1S/C16H21NO2/c1-4-6-13-8-10-14(11-9-13)17-16(19)15(7-5-2)12(3)18/h5,8-11,15H,2,4,6-7H2,1,3H3,(H,17,19)
InChIKeyILNOQJZWKDTYTR-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.36
Rot. Bonds7

About 2-acetyl-N-(4-propylphenyl)pent-4-enamide

2-acetyl-N-(4-propylphenyl)pent-4-enamide (PubChem CID 87853698) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-acetyl-N-(4-propylphenyl)pent-4-enamide.

Molecular Properties

Compound Name2-acetyl-N-(4-propylphenyl)pent-4-enamide
PubChem CID87853698
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-acetyl-N-(4-propylphenyl)pent-4-enamide
SMILESC=CCC(C(C)=O)C(=O)Nc1ccc(CCC)cc1
InChIInChI=1S/C16H21NO2/c1-4-6-13-8-10-14(11-9-13)17-16(19)15(7-5-2)12(3)18/h5,8-11,15H,2,4,6-7H2,1,3H3,(H,17,19)
InChIKeyILNOQJZWKDTYTR-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
3-methyl-2-[(4-propylphenyl)carbamoyl]butanoic acid
CID 115186130
2-amino-3-methyl-N-(4-propylphenyl)butanamide
CID 43378687
(2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide
CID 102293196
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide
CID 4227620
2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
CID 177180405
N-but-1-en-2-yl-4-propylaniline
CID 142064783
methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
CID 53266101
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
CID 8970393
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(4-propylphenyl)pent-4-enamide?
The IUPAC name of 2-acetyl-N-(4-propylphenyl)pent-4-enamide (CID 87853698) is 2-acetyl-N-(4-propylphenyl)pent-4-enamide.
What is the SMILES notation for 2-acetyl-N-(4-propylphenyl)pent-4-enamide?
The canonical SMILES for 2-acetyl-N-(4-propylphenyl)pent-4-enamide is C=CCC(C(C)=O)C(=O)Nc1ccc(CCC)cc1.
What is the InChIKey of 2-acetyl-N-(4-propylphenyl)pent-4-enamide?
The InChIKey is ILNOQJZWKDTYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-6-13-8-10-14(11-9-13)17-16(19)15(7-5-2)12(3)18/h5,8-11,15H,2,4,6-7H2,1,3H3,(H,17,19).
What are the key properties of 2-acetyl-N-(4-propylphenyl)pent-4-enamide?
2-acetyl-N-(4-propylphenyl)pent-4-enamide has a molecular weight of 259.35 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(4-propylphenyl)pent-4-enamide is sourced from PubChem (CID 87853698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).